5-[(1S,4aR,5S,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylidenepentan-1-ol
| Internal ID | 6bd308ec-b8ed-4ed6-a295-24c5998281cc |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 5-[(1S,4aR,5S,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylidenepentan-1-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H34O2/c1-15(10-13-21)6-8-17-16(2)7-9-18-19(3,14-22)11-5-12-20(17,18)4/h17-18,21-22H,1-2,5-14H2,3-4H3/t17-,18-,19+,20+/m0/s1 |
| InChI Key | WTFWUWLORKLWCJ-VNTMZGSJSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C20H34O2 |
| Molecular Weight | 306.50 g/mol |
| Exact Mass | 306.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 4.90 |
| NSC-319629 |
![2D Structure of 5-[(1S,4aR,5S,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylidenepentan-1-ol](https://plantaedb.com/storage/docs/compounds/2023/11/99427ed0-871a-11ee-ad9c-114f05f88485.jpg "2D Structure of 5-[(1S,4aR,5S,8aR)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylidenepentan-1-ol")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.67% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.37% | 91.11% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.29% | 95.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.25% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.09% | 97.09% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 86.00% | 99.43% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.74% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.15% | 94.45% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.38% | 96.61% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 84.32% | 98.10% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.44% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.24% | 95.89% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.08% | 95.38% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 81.87% | 97.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.62% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.42% | 91.49% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.68% | 95.93% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Cryptomeria japonica |
| Cupressus sempervirens |
| Juniperus communis |
| Juniperus thurifera |
| Pinus sibirica |
| PubChem | 330567 |
| LOTUS | LTS0079225 |
| wikiData | Q105312504 |